Cas no 105705-27-9 (2-Propen-1-one, 1-(5-benzofuranyl)-3-(4-methylphenyl)-)
105705-27-9 structure
Product Name:2-Propen-1-one, 1-(5-benzofuranyl)-3-(4-methylphenyl)-
CAS No:105705-27-9
MF:C18H14O2
MW:262.302565097809
CID:1162643
PubChem ID:71333762
Update Time:2025-04-20
2-Propen-1-one, 1-(5-benzofuranyl)-3-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one, 1-(5-benzofuranyl)-3-(4-methylphenyl)-
- 1-(1-benzofuran-5-yl)-3-(4-methylphenyl)prop-2-en-1-one
- 105705-27-9
- DTXSID40761966
-
- Inchi： 1S/C18H14O2/c1-13-2-4-14(5-3-13)6-8-17(19)15-7-9-18-16(12-15)10-11-20-18/h2-12H,1H3
- InChI Key： KUZOLXQOJPOGBT-UHFFFAOYSA-N
- SMILES： O1C=CC2C=C(C(C=CC3C=CC(C)=CC=3)=O)C=CC1=2
Computed Properties
- Exact Mass: 262.09942
- Monoisotopic Mass: 262.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.5
- Topological Polar Surface Area: 30.2?2
Experimental Properties
- PSA: 30.21
- LogP: 4.63730
2-Propen-1-one, 1-(5-benzofuranyl)-3-(4-methylphenyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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